6-methoxy-1,2,3,8,8a,8b-hexahydroindeno[2,1-b]pyrrole

C12H15NO — CID 70546057

IUPAC6-methoxy-1,2,3,8,8a,8b-hexahydroindeno[2,1-b]pyrrole
SMILESCOC1=CCC2C(=C1)C=C1NCCC12
InChIInChI=1S/C12H15NO/c1-14-9-2-3-10-8(6-9)7-12-11(10)4-5-13-12/h2,6-7,10-11,13H,3-5H2,1H3
InChIKeyKIZQWNBVUURYLV-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.97
Rot. Bonds1

About 6-methoxy-1,2,3,8,8a,8b-hexahydroindeno[2,1-b]pyrrole

6-methoxy-1,2,3,8,8a,8b-hexahydroindeno[2,1-b]pyrrole (PubChem CID 70546057) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 6-methoxy-1,2,3,8,8a,8b-hexahydroindeno[2,1-b]pyrrole.

Molecular Properties

Compound Name6-methoxy-1,2,3,8,8a,8b-hexahydroindeno[2,1-b]pyrrole
PubChem CID70546057
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name6-methoxy-1,2,3,8,8a,8b-hexahydroindeno[2,1-b]pyrrole
SMILESCOC1=CCC2C(=C1)C=C1NCCC12
InChIInChI=1S/C12H15NO/c1-14-9-2-3-10-8(6-9)7-12-11(10)4-5-13-12/h2,6-7,10-11,13H,3-5H2,1H3
InChIKeyKIZQWNBVUURYLV-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,2,3,8,8a,8b-hexahydroindeno[2,1-b]pyrrole?
The IUPAC name of 6-methoxy-1,2,3,8,8a,8b-hexahydroindeno[2,1-b]pyrrole (CID 70546057) is 6-methoxy-1,2,3,8,8a,8b-hexahydroindeno[2,1-b]pyrrole.
What is the SMILES notation for 6-methoxy-1,2,3,8,8a,8b-hexahydroindeno[2,1-b]pyrrole?
The canonical SMILES for 6-methoxy-1,2,3,8,8a,8b-hexahydroindeno[2,1-b]pyrrole is COC1=CCC2C(=C1)C=C1NCCC12.
What is the InChIKey of 6-methoxy-1,2,3,8,8a,8b-hexahydroindeno[2,1-b]pyrrole?
The InChIKey is KIZQWNBVUURYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-14-9-2-3-10-8(6-9)7-12-11(10)4-5-13-12/h2,6-7,10-11,13H,3-5H2,1H3.
What are the key properties of 6-methoxy-1,2,3,8,8a,8b-hexahydroindeno[2,1-b]pyrrole?
6-methoxy-1,2,3,8,8a,8b-hexahydroindeno[2,1-b]pyrrole has a molecular weight of 189.26 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,2,3,8,8a,8b-hexahydroindeno[2,1-b]pyrrole is sourced from PubChem (CID 70546057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).